N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C12H14N4OS — CID 51084957

IUPACN-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4OS/c17-12(13-7-10-1-4-14-15-10)16-5-2-11-9(8-16)3-6-18-11/h1,3-4,6H,2,5,7-8H2,(H,13,17)(H,14,15)
InChIKeyCZHURIGNOWCUMD-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.74
Rot. Bonds2

About N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 51084957) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID51084957
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C12H14N4OS/c17-12(13-7-10-1-4-14-15-10)16-5-2-11-9(8-16)3-6-18-11/h1,3-4,6H,2,5,7-8H2,(H,13,17)(H,14,15)
InChIKeyCZHURIGNOWCUMD-UHFFFAOYSA-N
XLogP1.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 51084957) is N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCc1ccn[nH]1)N1CCc2sccc2C1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is CZHURIGNOWCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(13-7-10-1-4-14-15-10)16-5-2-11-9(8-16)3-6-18-11/h1,3-4,6H,2,5,7-8H2,(H,13,17)(H,14,15).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 51084957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).